Glycoside
GD122011
Name:
Pinocembrin 7-O-Neohesperidoside 6''-O-AcetateFormula:
C29H34O14Smiles:
CC(=O)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccccc2)CC3=O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1OAglycone:
COC(C)=O.O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.58 | Num_heavy_atoms: | 43 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD07333
Formula: C15H12O4
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
